SCHEMBL7873571

SCHEMBL7873571

NC(=NC(=O)c1cc2ccccc2[nH]1)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
DAO P14920 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HDAC2 Q92769 2/20 0.48
FLT3 P36888 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7877807 0.99 IDO1 (0.51) IDO1KDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL8688400 0.99 IDO1 (0.51) IDO1KDM4EALDH1A1GAAMAPK1
SCHEMBL8627251 0.92 HDAC2 (0.51) IDO1KDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7882311 0.91 HDAC2 (0.50) IDO1KDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7882115 0.90 HDAC2 (0.47) IDO1KDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7881250 0.88 KDM4E (0.47) IDO1KDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7879991 0.87 IDO1 (0.49) IDO1KDM4EALDH1A1GAAMAPK1
SCHEMBL7873317 0.87 HDAC2 (0.45) KDM4EALDH1A1GAAMAPK1HSD17B10
Hydrochloric Acid SCHEMBL7880917 0.87 MEN1 (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
Hydrochloric Acid SCHEMBL8687198 0.86 NHERF1 (0.55) KDM4EMEN1KMT2ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed